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Chemical ID: 6179243

Cc1ccc(cc1)c2nnc(s2)NC(=O)c3ccc(cc3)N4C(=O)CCC4=O

Chemical ID:

6179243

Name [?]:

4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]-benzamide

SMILES [?]:

Cc1ccc(cc1)c2nnc(s2)NC(=O)c3ccc(cc3)N4C(=O)CCC4=O

InChi [?]:

InChI=1/C20H16N4O3S/c1-12-2-4-14(5-3-12)19-22-23-20(28-19)21-18(27)13-6-8-15(9-7-13)24-16(25)10-11-17(24)26/h2-9H,10-11H2,1H3,(H,21,23,27)

InChi Info:

AuxInfo=1/1/N:1,3,7,4,6,17,21,18,20,25,26,2,16,5,19,23,27,14,8,11,13,9,10,22,24,28,15,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(16,17)(25,26)/rA:28nCCCCCCCCNNCSNCOCCCCCCNCOCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;s25;s22s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₆N₄O₃S
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1732
Area:	612.522
Solvation:	-5.13989
Coulombic:	-48.5922

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	392.432
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.33
LogP (Chemaxon):	2.59

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value